2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide

C24H18ClN3O3S — CID 20922333

IUPAC2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C24H18ClN3O3S/c25-16-10-12-18(13-11-16)28-22(30)15-32-24(28)19-8-4-5-9-20(19)27(23(24)31)14-21(29)26-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,26,29)
InChIKeyDUGPEZCVKVBKGV-UHFFFAOYSA-N
MW463.95 g/mol
LogP4.26
Rot. Bonds4

About 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide

2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide (PubChem CID 20922333) has the molecular formula C24H18ClN3O3S and a molecular weight of 463.95 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
PubChem CID20922333
Molecular FormulaC24H18ClN3O3S
Molecular Weight463.95 g/mol
Exact Mass463.08
IUPAC Name2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)C2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)Nc1ccccc1
InChIInChI=1S/C24H18ClN3O3S/c25-16-10-12-18(13-11-16)28-22(30)15-32-24(28)19-8-4-5-9-20(19)27(23(24)31)14-21(29)26-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,26,29)
InChIKeyDUGPEZCVKVBKGV-UHFFFAOYSA-N
XLogP4.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.95
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide (CID 20922333) is 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide is O=C(CN1C(=O)C2(SCC(=O)N2c2ccc(Cl)cc2)c2ccccc21)Nc1ccccc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide?
The InChIKey is DUGPEZCVKVBKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3S/c25-16-10-12-18(13-11-16)28-22(30)15-32-24(28)19-8-4-5-9-20(19)27(23(24)31)14-21(29)26-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,26,29).
What are the key properties of 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide?
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide has a molecular weight of 463.95 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide is sourced from PubChem (CID 20922333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).